dodecyl dioctyl phosphate

C28H59O4P — CID 57134013

IUPACdodecyl dioctyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C28H59O4P/c1-4-7-10-13-16-17-18-19-22-25-28-32-33(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyHLEXCAMDXYOMCR-UHFFFAOYSA-N
MW490.75 g/mol
LogP10.79
Rot. Bonds28

About dodecyl dioctyl phosphate

dodecyl dioctyl phosphate (PubChem CID 57134013) has the molecular formula C28H59O4P and a molecular weight of 490.75 g/mol. Its IUPAC name is dodecyl dioctyl phosphate.

Molecular Properties

Compound Namedodecyl dioctyl phosphate
PubChem CID57134013
Molecular FormulaC28H59O4P
Molecular Weight490.75 g/mol
Exact Mass490.42
IUPAC Namedodecyl dioctyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C28H59O4P/c1-4-7-10-13-16-17-18-19-22-25-28-32-33(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyHLEXCAMDXYOMCR-UHFFFAOYSA-N
XLogP10.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.75
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
tris(3-pentadecoxypropyl) phosphate
CID 126525532
azane;didodecyl ethyl phosphate
CID 170436215
bis(2-bromoethyl) undecyl phosphate
CID 54074292
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl 2-hydroxyethyl propyl phosphate
CID 151935129

Frequently Asked Questions

What is the IUPAC name of dodecyl dioctyl phosphate?
The IUPAC name of dodecyl dioctyl phosphate (CID 57134013) is dodecyl dioctyl phosphate.
What is the SMILES notation for dodecyl dioctyl phosphate?
The canonical SMILES for dodecyl dioctyl phosphate is CCCCCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of dodecyl dioctyl phosphate?
The InChIKey is HLEXCAMDXYOMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59O4P/c1-4-7-10-13-16-17-18-19-22-25-28-32-33(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3.
What are the key properties of dodecyl dioctyl phosphate?
dodecyl dioctyl phosphate has a molecular weight of 490.75 g/mol, XLogP of 10.79, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl dioctyl phosphate is sourced from PubChem (CID 57134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).